(E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide

C27H33NO — CID 46935207

IUPAC(E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/C1=C(c2ccccc2)c2ccccc2CC1
InChIInChI=1S/C27H33NO/c1-20(2)18-28(19-21(3)4)26(29)17-16-24-15-14-22-10-8-9-13-25(22)27(24)23-11-6-5-7-12-23/h5-13,16-17,20-21H,14-15,18-19H2,1-4H3/b17-16+
InChIKeyUWPCARAXNZJXFJ-WUKNDPDISA-N
MW387.57 g/mol
LogP6.13
Rot. Bonds7

About (E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide

(E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide (PubChem CID 46935207) has the molecular formula C27H33NO and a molecular weight of 387.57 g/mol. Its IUPAC name is (E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide
PubChem CID46935207
Molecular FormulaC27H33NO
Molecular Weight387.57 g/mol
Exact Mass387.26
IUPAC Name(E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/C1=C(c2ccccc2)c2ccccc2CC1
InChIInChI=1S/C27H33NO/c1-20(2)18-28(19-21(3)4)26(29)17-16-24-15-14-22-10-8-9-13-25(22)27(24)23-11-6-5-7-12-23/h5-13,16-17,20-21H,14-15,18-19H2,1-4H3/b17-16+
InChIKeyUWPCARAXNZJXFJ-WUKNDPDISA-N
XLogP6.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide (CID 46935207) is (E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide is CC(C)CN(CC(C)C)C(=O)/C=C/C1=C(c2ccccc2)c2ccccc2CC1.
What is the InChIKey of (E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide?
The InChIKey is UWPCARAXNZJXFJ-WUKNDPDISA-N. The full InChI is InChI=1S/C27H33NO/c1-20(2)18-28(19-21(3)4)26(29)17-16-24-15-14-22-10-8-9-13-25(22)27(24)23-11-6-5-7-12-23/h5-13,16-17,20-21H,14-15,18-19H2,1-4H3/b17-16+.
What are the key properties of (E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide?
(E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide has a molecular weight of 387.57 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-methylpropyl)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)prop-2-enamide is sourced from PubChem (CID 46935207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).